2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile

C15H11F3N2 — CID 79055378

IUPAC2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
SMILESCc1cc(F)cc(NC(C#N)c2c(F)cccc2F)c1
InChIInChI=1S/C15H11F3N2/c1-9-5-10(16)7-11(6-9)20-14(8-19)15-12(17)3-2-4-13(15)18/h2-7,14,20H,1H3
InChIKeyNSIAUASOSXYDBL-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.09
Rot. Bonds3

About 2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile

2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile (PubChem CID 79055378) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
PubChem CID79055378
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
SMILESCc1cc(F)cc(NC(C#N)c2c(F)cccc2F)c1
InChIInChI=1S/C15H11F3N2/c1-9-5-10(16)7-11(6-9)20-14(8-19)15-12(17)3-2-4-13(15)18/h2-7,14,20H,1H3
InChIKeyNSIAUASOSXYDBL-UHFFFAOYSA-N
XLogP4.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile?
The IUPAC name of 2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile (CID 79055378) is 2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile.
What is the SMILES notation for 2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile?
The canonical SMILES for 2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile is Cc1cc(F)cc(NC(C#N)c2c(F)cccc2F)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile?
The InChIKey is NSIAUASOSXYDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c1-9-5-10(16)7-11(6-9)20-14(8-19)15-12(17)3-2-4-13(15)18/h2-7,14,20H,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile?
2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile has a molecular weight of 276.26 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile is sourced from PubChem (CID 79055378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).